8-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

Systemtic Name: 8-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 3-methylsulfanyl-2-phenyl-8-(p-tolylsulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 8-(4-methylphenyl)sulfonyl-3-(methylthio)-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 8-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 3-(methylthio)-2-phenyl-8-tosyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)N=C(C(=N3)SC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)N=C(C(=N3)SC)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-16-8-10-18(11-9-16)28(25,26)24-14-12-21(13-15-24)22-19(20(23-21)27-2)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3